The impact of molecular dynamics (MD) simulations in molecular biology and drug discovery
has expanded dramatically in recent years. These simulations capture the behavior of …

The opioid crisis represents a major worldwide public health crisis that has accelerated the
search for safer and more effective opioids. Over the past few years, the identification of …

Class A G-protein-coupled receptors (GPCRs) influence virtually every aspect of human
physiology. Understanding receptor activation mechanism is critical for discovering novel …

The κ-opioid receptor (KOR) has emerged as an attractive drug target for pain management
without addiction, and biased signaling through particular pathways of KOR may be key to …

After activation by an agonist, G-protein-coupled receptors (GPCRs) recruit β-arrestin, which
desensitizes heterotrimeric G-protein signalling and promotes receptor endocytosis …

Binding of arrestin to phosphorylated G protein-coupled receptors (GPCRs) is crucial for
modulating signaling. Once internalized, some GPCRs remain complexed with β-arrestins …

Over one-third of current drugs target G-protein-coupled receptors (GPCRs). Leveraging the
phenomenon of biased signaling, where different ligands that bind to the same GPCR …

Summary" Biased" G protein-coupled receptor (GPCR) agonists preferentially activate
pathways mediated by G proteins or β-arrestins. Here, we use double electron-electron …

Binding of arrestin to phosphorylated G-protein-coupled receptors (GPCRs) controls many
aspects of cell signaling. The number and arrangement of phosphates may vary …

Abstract Rationale: Breast cancer (BrCa) is the most common cancer worldwide, and the 5-
year relative survival rate has declined in patients diagnosed at stage IV. Advanced BrCa is …